data_15398 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 15398 _Entry.Title ; NH, NN, C and CA chemical shift assignment of the nuclear coactivator binding domain of CBP in the free state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2007-07-20 _Entry.Accession_date 2007-07-20 _Entry.Last_release_date 2008-04-04 _Entry.Original_release_date 2008-04-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.96 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Marc-Olivier Ebert . . . 15398 2 Sung-Hun Bae . . . 15398 3 H. Dyson . Jane . 15398 4 Peter Wright . E. . 15398 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'The Scripps Research Institute' . 15398 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 15398 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 105 15398 '15N chemical shifts' 48 15398 '1H chemical shifts' 48 15398 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2008-04-04 2007-07-20 original author . 15398 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 15397 'ACTR in the free state' 15398 BMRB 5228 'ACTR in complex with the CREB binding protein, CBP' 15398 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 15398 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 18177052 _Citation.Full_citation . _Citation.Title ; NMR Relaxation Study of the Complex Formed Between CBP and the Activation Domain of the Nuclear Hormone Receptor Coactivator ACTR ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 47 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 1299 _Citation.Page_last 1308 _Citation.Year 2008 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Marc-Olivier Ebert . . . 15398 1 2 Sung-Hun Bae . . . 15398 1 3 H. Dyson . Jane . 15398 1 4 Peter Wright . E. . 15398 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 15398 _Assembly.ID 1 _Assembly.Name CBP _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CBP 1 $CBP A . yes unfolded no no . . . 15398 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CBP _Entity.Sf_category entity _Entity.Sf_framecode CBP _Entity.Entry_ID 15398 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CBP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PNRSISPSALQDLLRTLKSP SSPQQQQQVLNILKSNPQLM AAFIKQRTAKYVANQPGMQ ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states yes _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-26 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 16363 . CBP . . . . . 100.00 59 100.00 100.00 2.12e-31 . . . . 15398 1 2 no BMRB 17073 . CBP . . . . . 100.00 59 100.00 100.00 2.12e-31 . . . . 15398 1 3 no PDB 1JJS . "Nmr Structure Of Ibid, A Domain Of CbpP300" . . . . . 77.97 50 100.00 100.00 5.09e-14 . . . . 15398 1 4 no PDB 1KBH . "Mutual Synergistic Folding In The Interaction Between Nuclear Receptor Coactivators Cbp And Actr" . . . . . 98.31 59 100.00 100.00 1.40e-30 . . . . 15398 1 5 no PDB 1ZOQ . "Irf3-Cbp Complex" . . . . . 79.66 47 100.00 100.00 1.72e-14 . . . . 15398 1 6 no PDB 2C52 . "Structural Diversity In Cbp P160 Complexes" . . . . . 100.00 59 100.00 100.00 2.12e-31 . . . . 15398 1 7 no PDB 2KKJ . "Solution Structure Of The Nuclear Coactivator Binding Domain Of Cbp" . . . . . 100.00 59 100.00 100.00 2.12e-31 . . . . 15398 1 8 no PDB 2L14 . "Structure Of Cbp Nuclear Coactivator Binding Domain In Complex With P53 Tad" . . . . . 100.00 59 100.00 100.00 2.12e-31 . . . . 15398 1 9 no DBJ BAE06125 . "CREBBP variant protein [Homo sapiens]" . . . . . 100.00 2404 98.31 98.31 1.50e-26 . . . . 15398 1 10 no DBJ BAI45616 . "CREB binding protein [synthetic construct]" . . . . . 100.00 2442 98.31 98.31 1.60e-26 . . . . 15398 1 11 no GB AAB28651 . "CREB-binding protein [Mus sp.]" . . . . . 100.00 2441 100.00 100.00 1.08e-27 . . . . 15398 1 12 no GB AAC17736 . "CBP [Homo sapiens]" . . . . . 100.00 923 98.31 98.31 9.84e-27 . . . . 15398 1 13 no GB AAC51331 . "CREB-binding protein [Homo sapiens]" . . . . . 100.00 2442 98.31 98.31 1.60e-26 . . . . 15398 1 14 no GB AAC51340 . "CREB-binding protein [Homo sapiens]" . . . . . 100.00 932 98.31 98.31 1.11e-26 . . . . 15398 1 15 no GB AAC51770 . "CREB-binding protein [Homo sapiens]" . . . . . 100.00 2442 98.31 98.31 1.60e-26 . . . . 15398 1 16 no PRF 1923401A . "protein CBP" . . . . . 100.00 2441 100.00 100.00 1.11e-27 . . . . 15398 1 17 no REF NP_001020603 . "CREB-binding protein [Mus musculus]" . . . . . 100.00 2441 98.31 98.31 1.54e-26 . . . . 15398 1 18 no REF NP_001073315 . "CREB-binding protein isoform b [Homo sapiens]" . . . . . 100.00 2404 98.31 98.31 1.50e-26 . . . . 15398 1 19 no REF NP_001247644 . "CREB-binding protein [Macaca mulatta]" . . . . . 100.00 2442 98.31 98.31 1.64e-26 . . . . 15398 1 20 no REF NP_004371 . "CREB-binding protein isoform a [Homo sapiens]" . . . . . 100.00 2442 98.31 98.31 1.60e-26 . . . . 15398 1 21 no REF NP_596872 . "CREB-binding protein [Rattus norvegicus]" . . . . . 100.00 2444 98.31 98.31 1.48e-26 . . . . 15398 1 22 no SP P45481 . "RecName: Full=CREB-binding protein" . . . . . 100.00 2441 98.31 98.31 1.63e-26 . . . . 15398 1 23 no SP Q6JHU9 . "RecName: Full=CREB-binding protein" . . . . . 100.00 2442 98.31 98.31 1.38e-26 . . . . 15398 1 24 no SP Q92793 . "RecName: Full=CREB-binding protein" . . . . . 100.00 2442 98.31 98.31 1.60e-26 . . . . 15398 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 2059 PRO . 15398 1 2 2060 ASN . 15398 1 3 2061 ARG . 15398 1 4 2062 SER . 15398 1 5 2063 ILE . 15398 1 6 2064 SER . 15398 1 7 2065 PRO . 15398 1 8 2066 SER . 15398 1 9 2067 ALA . 15398 1 10 2068 LEU . 15398 1 11 2069 GLN . 15398 1 12 2070 ASP . 15398 1 13 2071 LEU . 15398 1 14 2072 LEU . 15398 1 15 2073 ARG . 15398 1 16 2074 THR . 15398 1 17 2075 LEU . 15398 1 18 2076 LYS . 15398 1 19 2077 SER . 15398 1 20 2078 PRO . 15398 1 21 2079 SER . 15398 1 22 2080 SER . 15398 1 23 2081 PRO . 15398 1 24 2082 GLN . 15398 1 25 2083 GLN . 15398 1 26 2084 GLN . 15398 1 27 2085 GLN . 15398 1 28 2086 GLN . 15398 1 29 2087 VAL . 15398 1 30 2088 LEU . 15398 1 31 2089 ASN . 15398 1 32 2090 ILE . 15398 1 33 2091 LEU . 15398 1 34 2092 LYS . 15398 1 35 2093 SER . 15398 1 36 2094 ASN . 15398 1 37 2095 PRO . 15398 1 38 2096 GLN . 15398 1 39 2097 LEU . 15398 1 40 2098 MET . 15398 1 41 2099 ALA . 15398 1 42 2100 ALA . 15398 1 43 2101 PHE . 15398 1 44 2102 ILE . 15398 1 45 2103 LYS . 15398 1 46 2104 GLN . 15398 1 47 2105 ARG . 15398 1 48 2106 THR . 15398 1 49 2107 ALA . 15398 1 50 2108 LYS . 15398 1 51 2109 TYR . 15398 1 52 2110 VAL . 15398 1 53 2111 ALA . 15398 1 54 2112 ASN . 15398 1 55 2113 GLN . 15398 1 56 2114 PRO . 15398 1 57 2115 GLY . 15398 1 58 2116 MET . 15398 1 59 2117 GLN . 15398 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . PRO 1 1 15398 1 . ASN 2 2 15398 1 . ARG 3 3 15398 1 . SER 4 4 15398 1 . ILE 5 5 15398 1 . SER 6 6 15398 1 . PRO 7 7 15398 1 . SER 8 8 15398 1 . ALA 9 9 15398 1 . LEU 10 10 15398 1 . GLN 11 11 15398 1 . ASP 12 12 15398 1 . LEU 13 13 15398 1 . LEU 14 14 15398 1 . ARG 15 15 15398 1 . THR 16 16 15398 1 . LEU 17 17 15398 1 . LYS 18 18 15398 1 . SER 19 19 15398 1 . PRO 20 20 15398 1 . SER 21 21 15398 1 . SER 22 22 15398 1 . PRO 23 23 15398 1 . GLN 24 24 15398 1 . GLN 25 25 15398 1 . GLN 26 26 15398 1 . GLN 27 27 15398 1 . GLN 28 28 15398 1 . VAL 29 29 15398 1 . LEU 30 30 15398 1 . ASN 31 31 15398 1 . ILE 32 32 15398 1 . LEU 33 33 15398 1 . LYS 34 34 15398 1 . SER 35 35 15398 1 . ASN 36 36 15398 1 . PRO 37 37 15398 1 . GLN 38 38 15398 1 . LEU 39 39 15398 1 . MET 40 40 15398 1 . ALA 41 41 15398 1 . ALA 42 42 15398 1 . PHE 43 43 15398 1 . ILE 44 44 15398 1 . LYS 45 45 15398 1 . GLN 46 46 15398 1 . ARG 47 47 15398 1 . THR 48 48 15398 1 . ALA 49 49 15398 1 . LYS 50 50 15398 1 . TYR 51 51 15398 1 . VAL 52 52 15398 1 . ALA 53 53 15398 1 . ASN 54 54 15398 1 . GLN 55 55 15398 1 . PRO 56 56 15398 1 . GLY 57 57 15398 1 . MET 58 58 15398 1 . GLN 59 59 15398 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 15398 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $CBP . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 15398 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 15398 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $CBP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET22b . . . . . . 15398 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 15398 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CBP '[U-98% 13C; U-98% 15N]' . . 1 $CBP . . 1 . . mM . . . . 15398 1 2 NaCl . . . . . . . 50 . . mM . . . . 15398 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 15398 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 50 . mM 15398 1 pH 6.7 . pH 15398 1 pressure 1 . atm 15398 1 temperature 304.15 . K 15398 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 15398 _Software.ID 1 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 15398 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 15398 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 15398 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 15398 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_3 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_3 _NMR_spectrometer.Entry_ID 15398 _NMR_spectrometer.ID 3 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 15398 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 750 . . . 15398 1 2 spectrometer_2 Bruker DRX . 600 . . . 15398 1 3 spectrometer_3 Bruker DRX . 500 . . . 15398 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 15398 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15398 1 2 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15398 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15398 1 4 '3D (HCA)CO(CA)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15398 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15398 1 6 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . . . . . . . . . . . . . . . . . . . 15398 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 15398 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.715615 internal indirect 0.251449530 . . . . . . . . . 15398 1 H 1 water protons . . . . ppm 4.715615 internal direct 1 . . . . . . . . . 15398 1 N 15 water protons . . . . ppm 4.715615 internal indirect 0.101329118 . . . . . . . . . 15398 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_NH_NN_C_and_CA_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode NH_NN_C_and_CA_chemical_shifts _Assigned_chem_shift_list.Entry_ID 15398 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D HNCA' . . . 15398 1 2 '3D HN(CO)CA' . . . 15398 1 3 '3D HNCACB' . . . 15398 1 4 '3D (HCA)CO(CA)NH' . . . 15398 1 5 '3D HNCO' . . . 15398 1 6 '2D 1H-15N HSQC' . . . 15398 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 5 5 ILE H H 1 8.146 . . 1 . . . . 2063 ILE HN . 15398 1 2 . 1 1 5 5 ILE C C 13 175.58 . . 1 . . . . 2063 ILE C . 15398 1 3 . 1 1 5 5 ILE CA C 13 60.711 . . 1 . . . . 2063 ILE CA . 15398 1 4 . 1 1 5 5 ILE N N 15 122.3 . . 1 . . . . 2063 ILE NN . 15398 1 5 . 1 1 6 6 SER H H 1 8.416 . . 1 . . . . 2064 SER HN . 15398 1 6 . 1 1 6 6 SER C C 13 173.304 . . 1 . . . . 2064 SER C . 15398 1 7 . 1 1 6 6 SER CA C 13 56.276 . . 1 . . . . 2064 SER CA . 15398 1 8 . 1 1 6 6 SER N N 15 122.129 . . 1 . . . . 2064 SER NN . 15398 1 9 . 1 1 7 7 PRO C C 13 178.25 . . 1 . . . . 2065 PRO C . 15398 1 10 . 1 1 8 8 SER H H 1 8.2 . . 1 . . . . 2066 SER HN . 15398 1 11 . 1 1 8 8 SER C C 13 175.399 . . 1 . . . . 2066 SER C . 15398 1 12 . 1 1 8 8 SER CA C 13 59.788 . . 1 . . . . 2066 SER CA . 15398 1 13 . 1 1 8 8 SER N N 15 114.078 . . 1 . . . . 2066 SER NN . 15398 1 14 . 1 1 9 9 ALA H H 1 8.037 . . 1 . . . . 2067 ALA HN . 15398 1 15 . 1 1 9 9 ALA C C 13 179.578 . . 1 . . . . 2067 ALA C . 15398 1 16 . 1 1 9 9 ALA CA C 13 54.48 . . 1 . . . . 2067 ALA CA . 15398 1 17 . 1 1 9 9 ALA N N 15 125.897 . . 1 . . . . 2067 ALA NN . 15398 1 18 . 1 1 10 10 LEU H H 1 8.093 . . 1 . . . . 2068 LEU HN . 15398 1 19 . 1 1 10 10 LEU C C 13 178.273 . . 1 . . . . 2068 LEU C . 15398 1 20 . 1 1 10 10 LEU CA C 13 57.832 . . 1 . . . . 2068 LEU CA . 15398 1 21 . 1 1 10 10 LEU N N 15 118.874 . . 1 . . . . 2068 LEU NN . 15398 1 22 . 1 1 11 11 GLN H H 1 7.977 . . 1 . . . . 2069 GLN HN . 15398 1 23 . 1 1 11 11 GLN C C 13 178.609 . . 1 . . . . 2069 GLN C . 15398 1 24 . 1 1 11 11 GLN CA C 13 58.978 . . 1 . . . . 2069 GLN CA . 15398 1 25 . 1 1 11 11 GLN N N 15 117.504 . . 1 . . . . 2069 GLN NN . 15398 1 26 . 1 1 12 12 ASP H H 1 8.074 . . 1 . . . . 2070 ASP HN . 15398 1 27 . 1 1 12 12 ASP C C 13 178.827 . . 1 . . . . 2070 ASP C . 15398 1 28 . 1 1 12 12 ASP CA C 13 57.198 . . 1 . . . . 2070 ASP CA . 15398 1 29 . 1 1 12 12 ASP N N 15 119.902 . . 1 . . . . 2070 ASP NN . 15398 1 30 . 1 1 13 13 LEU H H 1 8.132 . . 1 . . . . 2071 LEU HN . 15398 1 31 . 1 1 13 13 LEU C C 13 178.628 . . 1 . . . . 2071 LEU C . 15398 1 32 . 1 1 13 13 LEU CA C 13 58.15 . . 1 . . . . 2071 LEU CA . 15398 1 33 . 1 1 13 13 LEU N N 15 122.471 . . 1 . . . . 2071 LEU NN . 15398 1 34 . 1 1 14 14 LEU H H 1 8.379 . . 1 . . . . 2072 LEU HN . 15398 1 35 . 1 1 14 14 LEU C C 13 179.299 . . 1 . . . . 2072 LEU C . 15398 1 36 . 1 1 14 14 LEU CA C 13 57.969 . . 1 . . . . 2072 LEU CA . 15398 1 37 . 1 1 14 14 LEU N N 15 118.532 . . 1 . . . . 2072 LEU NN . 15398 1 38 . 1 1 15 15 ARG H H 1 7.994 . . 1 . . . . 2073 ARG HN . 15398 1 39 . 1 1 15 15 ARG C C 13 178.948 . . 1 . . . . 2073 ARG C . 15398 1 40 . 1 1 15 15 ARG CA C 13 59.212 . . 1 . . . . 2073 ARG CA . 15398 1 41 . 1 1 15 15 ARG N N 15 118.361 . . 1 . . . . 2073 ARG NN . 15398 1 42 . 1 1 16 16 THR H H 1 7.887 . . 1 . . . . 2074 THR HN . 15398 1 43 . 1 1 16 16 THR C C 13 176.121 . . 1 . . . . 2074 THR C . 15398 1 44 . 1 1 16 16 THR CA C 13 65.521 . . 1 . . . . 2074 THR CA . 15398 1 45 . 1 1 16 16 THR N N 15 115.106 . . 1 . . . . 2074 THR NN . 15398 1 46 . 1 1 17 17 LEU H H 1 8.02 . . 1 . . . . 2075 LEU HN . 15398 1 47 . 1 1 17 17 LEU C C 13 177.198 . . 1 . . . . 2075 LEU C . 15398 1 48 . 1 1 17 17 LEU CA C 13 56.586 . . 1 . . . . 2075 LEU CA . 15398 1 49 . 1 1 17 17 LEU N N 15 121.101 . . 1 . . . . 2075 LEU NN . 15398 1 50 . 1 1 18 18 LYS H H 1 7.595 . . 1 . . . . 2076 LYS HN . 15398 1 51 . 1 1 18 18 LYS C C 13 176.757 . . 1 . . . . 2076 LYS C . 15398 1 52 . 1 1 18 18 LYS CA C 13 56.789 . . 1 . . . . 2076 LYS CA . 15398 1 53 . 1 1 18 18 LYS N N 15 117.675 . . 1 . . . . 2076 LYS NN . 15398 1 54 . 1 1 19 19 SER H H 1 7.671 . . 1 . . . . 2077 SER HN . 15398 1 55 . 1 1 19 19 SER C C 13 176.753 . . 1 . . . . 2077 SER C . 15398 1 56 . 1 1 19 19 SER CA C 13 56.899 . . 1 . . . . 2077 SER CA . 15398 1 57 . 1 1 19 19 SER N N 15 116.134 . . 1 . . . . 2077 SER NN . 15398 1 58 . 1 1 20 20 PRO C C 13 176.994 . . 1 . . . . 2078 PRO C . 15398 1 59 . 1 1 20 20 PRO CA C 13 63.417 . . 1 . . . . 2078 PRO CA . 15398 1 60 . 1 1 21 21 SER H H 1 8.441 . . 1 . . . . 2079 SER HN . 15398 1 61 . 1 1 21 21 SER C C 13 174.386 . . 1 . . . . 2079 SER C . 15398 1 62 . 1 1 21 21 SER CA C 13 58.815 . . 1 . . . . 2079 SER CA . 15398 1 63 . 1 1 21 21 SER N N 15 116.305 . . 1 . . . . 2079 SER NN . 15398 1 64 . 1 1 23 23 PRO C C 13 178.939 . . 1 . . . . 2081 PRO C . 15398 1 65 . 1 1 23 23 PRO CA C 13 65.317 . . 1 . . . . 2081 PRO CA . 15398 1 66 . 1 1 24 24 GLN H H 1 8.308 . . 1 . . . . 2082 GLN HN . 15398 1 67 . 1 1 24 24 GLN C C 13 178.115 . . 1 . . . . 2082 GLN C . 15398 1 68 . 1 1 24 24 GLN CA C 13 58.931 . . 1 . . . . 2082 GLN CA . 15398 1 69 . 1 1 24 24 GLN N N 15 117.333 . . 1 . . . . 2082 GLN NN . 15398 1 70 . 1 1 25 25 GLN H H 1 7.969 . . 1 . . . . 2083 GLN HN . 15398 1 71 . 1 1 25 25 GLN C C 13 178.039 . . 1 . . . . 2083 GLN C . 15398 1 72 . 1 1 25 25 GLN CA C 13 58.835 . . 1 . . . . 2083 GLN CA . 15398 1 73 . 1 1 25 25 GLN N N 15 121.958 . . 1 . . . . 2083 GLN NN . 15398 1 74 . 1 1 26 26 GLN H H 1 8.231 . . 1 . . . . 2084 GLN HN . 15398 1 75 . 1 1 26 26 GLN C C 13 177.98 . . 1 . . . . 2084 GLN C . 15398 1 76 . 1 1 26 26 GLN CA C 13 59.093 . . 1 . . . . 2084 GLN CA . 15398 1 77 . 1 1 26 26 GLN N N 15 118.874 . . 1 . . . . 2084 GLN NN . 15398 1 78 . 1 1 27 27 GLN H H 1 8.031 . . 1 . . . . 2085 GLN HN . 15398 1 79 . 1 1 27 27 GLN C C 13 177.847 . . 1 . . . . 2085 GLN C . 15398 1 80 . 1 1 27 27 GLN CA C 13 58.289 . . 1 . . . . 2085 GLN CA . 15398 1 81 . 1 1 27 27 GLN N N 15 118.189 . . 1 . . . . 2085 GLN NN . 15398 1 82 . 1 1 28 28 GLN H H 1 7.966 . . 1 . . . . 2086 GLN HN . 15398 1 83 . 1 1 28 28 GLN C C 13 178.667 . . 1 . . . . 2086 GLN C . 15398 1 84 . 1 1 28 28 GLN CA C 13 58.837 . . 1 . . . . 2086 GLN CA . 15398 1 85 . 1 1 28 28 GLN N N 15 119.388 . . 1 . . . . 2086 GLN NN . 15398 1 86 . 1 1 29 29 VAL H H 1 7.968 . . 1 . . . . 2087 VAL HN . 15398 1 87 . 1 1 29 29 VAL C C 13 177.395 . . 1 . . . . 2087 VAL C . 15398 1 88 . 1 1 29 29 VAL CA C 13 66.631 . . 1 . . . . 2087 VAL CA . 15398 1 89 . 1 1 29 29 VAL N N 15 119.388 . . 1 . . . . 2087 VAL NN . 15398 1 90 . 1 1 30 30 LEU H H 1 7.975 . . 1 . . . . 2088 LEU HN . 15398 1 91 . 1 1 30 30 LEU C C 13 178.783 . . 1 . . . . 2088 LEU C . 15398 1 92 . 1 1 30 30 LEU CA C 13 58.017 . . 1 . . . . 2088 LEU CA . 15398 1 93 . 1 1 30 30 LEU N N 15 119.56 . . 1 . . . . 2088 LEU NN . 15398 1 94 . 1 1 31 31 ASN H H 1 8.225 . . 1 . . . . 2089 ASN HN . 15398 1 95 . 1 1 31 31 ASN C C 13 178.25 . . 1 . . . . 2089 ASN C . 15398 1 96 . 1 1 31 31 ASN CA C 13 55.821 . . 1 . . . . 2089 ASN CA . 15398 1 97 . 1 1 31 31 ASN N N 15 117.333 . . 1 . . . . 2089 ASN NN . 15398 1 98 . 1 1 32 32 ILE H H 1 7.927 . . 1 . . . . 2090 ILE HN . 15398 1 99 . 1 1 32 32 ILE C C 13 178.499 . . 1 . . . . 2090 ILE C . 15398 1 100 . 1 1 32 32 ILE CA C 13 64.805 . . 1 . . . . 2090 ILE CA . 15398 1 101 . 1 1 32 32 ILE N N 15 121.958 . . 1 . . . . 2090 ILE NN . 15398 1 102 . 1 1 33 33 LEU H H 1 8.088 . . 1 . . . . 2091 LEU HN . 15398 1 103 . 1 1 33 33 LEU C C 13 178.482 . . 1 . . . . 2091 LEU C . 15398 1 104 . 1 1 33 33 LEU CA C 13 57.67 . . 1 . . . . 2091 LEU CA . 15398 1 105 . 1 1 33 33 LEU N N 15 120.245 . . 1 . . . . 2091 LEU NN . 15398 1 106 . 1 1 34 34 LYS H H 1 8.177 . . 1 . . . . 2092 LYS HN . 15398 1 107 . 1 1 34 34 LYS C C 13 178.04 . . 1 . . . . 2092 LYS C . 15398 1 108 . 1 1 34 34 LYS CA C 13 58.696 . . 1 . . . . 2092 LYS CA . 15398 1 109 . 1 1 34 34 LYS N N 15 116.819 . . 1 . . . . 2092 LYS NN . 15398 1 110 . 1 1 35 35 SER H H 1 8.87 . . 1 . . . . 2093 SER HN . 15398 1 111 . 1 1 35 35 SER C C 13 173.631 . . 1 . . . . 2093 SER C . 15398 1 112 . 1 1 35 35 SER CA C 13 59.421 . . 1 . . . . 2093 SER CA . 15398 1 113 . 1 1 35 35 SER N N 15 112.023 . . 1 . . . . 2093 SER NN . 15398 1 114 . 1 1 36 36 ASN H H 1 8.949 . . 1 . . . . 2094 ASN HN . 15398 1 115 . 1 1 36 36 ASN C C 13 172.183 . . 1 . . . . 2094 ASN C . 15398 1 116 . 1 1 36 36 ASN CA C 13 51.391 . . 1 . . . . 2094 ASN CA . 15398 1 117 . 1 1 36 36 ASN N N 15 118.703 . . 1 . . . . 2094 ASN NN . 15398 1 118 . 1 1 37 37 PRO C C 13 178.842 . . 1 . . . . 2095 PRO C . 15398 1 119 . 1 1 37 37 PRO CA C 13 65.171 . . 1 . . . . 2095 PRO CA . 15398 1 120 . 1 1 38 38 GLN H H 1 8.71 . . 1 . . . . 2096 GLN HN . 15398 1 121 . 1 1 38 38 GLN C C 13 178.421 . . 1 . . . . 2096 GLN C . 15398 1 122 . 1 1 38 38 GLN CA C 13 58.508 . . 1 . . . . 2096 GLN CA . 15398 1 123 . 1 1 38 38 GLN N N 15 118.361 . . 1 . . . . 2096 GLN NN . 15398 1 124 . 1 1 39 39 LEU H H 1 7.868 . . 1 . . . . 2097 LEU HN . 15398 1 125 . 1 1 39 39 LEU C C 13 178.212 . . 1 . . . . 2097 LEU C . 15398 1 126 . 1 1 39 39 LEU CA C 13 56.829 . . 1 . . . . 2097 LEU CA . 15398 1 127 . 1 1 39 39 LEU N N 15 121.101 . . 1 . . . . 2097 LEU NN . 15398 1 128 . 1 1 40 40 MET H H 1 7.963 . . 1 . . . . 2098 MET HN . 15398 1 129 . 1 1 40 40 MET C C 13 177.55 . . 1 . . . . 2098 MET C . 15398 1 130 . 1 1 40 40 MET CA C 13 58.204 . . 1 . . . . 2098 MET CA . 15398 1 131 . 1 1 40 40 MET N N 15 117.847 . . 1 . . . . 2098 MET NN . 15398 1 132 . 1 1 41 41 ALA H H 1 7.946 . . 1 . . . . 2099 ALA HN . 15398 1 133 . 1 1 41 41 ALA C C 13 179.449 . . 1 . . . . 2099 ALA C . 15398 1 134 . 1 1 41 41 ALA CA C 13 54.906 . . 1 . . . . 2099 ALA CA . 15398 1 135 . 1 1 41 41 ALA N N 15 120.073 . . 1 . . . . 2099 ALA NN . 15398 1 136 . 1 1 42 42 ALA H H 1 7.63 . . 1 . . . . 2100 ALA HN . 15398 1 137 . 1 1 42 42 ALA C C 13 179.215 . . 1 . . . . 2100 ALA C . 15398 1 138 . 1 1 42 42 ALA CA C 13 54.387 . . 1 . . . . 2100 ALA CA . 15398 1 139 . 1 1 42 42 ALA N N 15 119.731 . . 1 . . . . 2100 ALA NN . 15398 1 140 . 1 1 43 43 PHE H H 1 8.136 . . 1 . . . . 2101 PHE HN . 15398 1 141 . 1 1 43 43 PHE C C 13 176.947 . . 1 . . . . 2101 PHE C . 15398 1 142 . 1 1 43 43 PHE CA C 13 60.061 . . 1 . . . . 2101 PHE CA . 15398 1 143 . 1 1 43 43 PHE N N 15 118.361 . . 1 . . . . 2101 PHE NN . 15398 1 144 . 1 1 44 44 ILE H H 1 8.12 . . 1 . . . . 2102 ILE HN . 15398 1 145 . 1 1 44 44 ILE C C 13 177.524 . . 1 . . . . 2102 ILE C . 15398 1 146 . 1 1 44 44 ILE CA C 13 63.124 . . 1 . . . . 2102 ILE CA . 15398 1 147 . 1 1 44 44 ILE N N 15 118.361 . . 1 . . . . 2102 ILE NN . 15398 1 148 . 1 1 45 45 LYS H H 1 7.899 . . 1 . . . . 2103 LYS HN . 15398 1 149 . 1 1 45 45 LYS C C 13 177.443 . . 1 . . . . 2103 LYS C . 15398 1 150 . 1 1 45 45 LYS CA C 13 57.975 . . 1 . . . . 2103 LYS CA . 15398 1 151 . 1 1 45 45 LYS N N 15 121.444 . . 1 . . . . 2103 LYS NN . 15398 1 152 . 1 1 46 46 GLN H H 1 7.928 . . 1 . . . . 2104 GLN HN . 15398 1 153 . 1 1 46 46 GLN C C 13 176.705 . . 1 . . . . 2104 GLN C . 15398 1 154 . 1 1 46 46 GLN CA C 13 56.841 . . 1 . . . . 2104 GLN CA . 15398 1 155 . 1 1 46 46 GLN N N 15 118.874 . . 1 . . . . 2104 GLN NN . 15398 1 156 . 1 1 48 48 THR H H 1 7.937 . . 1 . . . . 2106 THR HN . 15398 1 157 . 1 1 48 48 THR C C 13 174.46 . . 1 . . . . 2106 THR C . 15398 1 158 . 1 1 48 48 THR CA C 13 62.353 . . 1 . . . . 2106 THR CA . 15398 1 159 . 1 1 48 48 THR N N 15 113.393 . . 1 . . . . 2106 THR NN . 15398 1 160 . 1 1 49 49 ALA H H 1 8.022 . . 1 . . . . 2107 ALA HN . 15398 1 161 . 1 1 49 49 ALA C C 13 177.614 . . 1 . . . . 2107 ALA C . 15398 1 162 . 1 1 49 49 ALA CA C 13 52.999 . . 1 . . . . 2107 ALA CA . 15398 1 163 . 1 1 49 49 ALA N N 15 125.726 . . 1 . . . . 2107 ALA NN . 15398 1 164 . 1 1 50 50 LYS H H 1 8.059 . . 1 . . . . 2108 LYS HN . 15398 1 165 . 1 1 50 50 LYS C C 13 176.197 . . 1 . . . . 2108 LYS C . 15398 1 166 . 1 1 50 50 LYS CA C 13 56.579 . . 1 . . . . 2108 LYS CA . 15398 1 167 . 1 1 50 50 LYS N N 15 119.388 . . 1 . . . . 2108 LYS NN . 15398 1 168 . 1 1 51 51 TYR H H 1 8.039 . . 1 . . . . 2109 TYR HN . 15398 1 169 . 1 1 51 51 TYR C C 13 175.508 . . 1 . . . . 2109 TYR C . 15398 1 170 . 1 1 51 51 TYR CA C 13 58.117 . . 1 . . . . 2109 TYR CA . 15398 1 171 . 1 1 51 51 TYR N N 15 121.101 . . 1 . . . . 2109 TYR NN . 15398 1 172 . 1 1 52 52 VAL H H 1 7.866 . . 1 . . . . 2110 VAL HN . 15398 1 173 . 1 1 52 52 VAL C C 13 175.241 . . 1 . . . . 2110 VAL C . 15398 1 174 . 1 1 52 52 VAL CA C 13 62.018 . . 1 . . . . 2110 VAL CA . 15398 1 175 . 1 1 52 52 VAL N N 15 122.643 . . 1 . . . . 2110 VAL NN . 15398 1 176 . 1 1 53 53 ALA H H 1 8.15 . . 1 . . . . 2111 ALA HN . 15398 1 177 . 1 1 53 53 ALA C C 13 177.3 . . 1 . . . . 2111 ALA C . 15398 1 178 . 1 1 53 53 ALA CA C 13 52.616 . . 1 . . . . 2111 ALA CA . 15398 1 179 . 1 1 53 53 ALA N N 15 126.753 . . 1 . . . . 2111 ALA NN . 15398 1 180 . 1 1 54 54 ASN H H 1 8.249 . . 1 . . . . 2112 ASN HN . 15398 1 181 . 1 1 54 54 ASN C C 13 174.71 . . 1 . . . . 2112 ASN C . 15398 1 182 . 1 1 54 54 ASN CA C 13 53.288 . . 1 . . . . 2112 ASN CA . 15398 1 183 . 1 1 54 54 ASN N N 15 117.162 . . 1 . . . . 2112 ASN NN . 15398 1 184 . 1 1 55 55 GLN H H 1 8.102 . . 1 . . . . 2113 GLN HN . 15398 1 185 . 1 1 55 55 GLN C C 13 173.837 . . 1 . . . . 2113 GLN C . 15398 1 186 . 1 1 55 55 GLN CA C 13 53.687 . . 1 . . . . 2113 GLN CA . 15398 1 187 . 1 1 55 55 GLN N N 15 120.93 . . 1 . . . . 2113 GLN NN . 15398 1 188 . 1 1 56 56 PRO C C 13 177.498 . . 1 . . . . 2114 PRO C . 15398 1 189 . 1 1 56 56 PRO CA C 13 63.635 . . 1 . . . . 2114 PRO CA . 15398 1 190 . 1 1 57 57 GLY H H 1 8.492 . . 1 . . . . 2115 GLY HN . 15398 1 191 . 1 1 57 57 GLY C C 13 174.208 . . 1 . . . . 2115 GLY C . 15398 1 192 . 1 1 57 57 GLY CA C 13 45.406 . . 1 . . . . 2115 GLY CA . 15398 1 193 . 1 1 57 57 GLY N N 15 109.283 . . 1 . . . . 2115 GLY NN . 15398 1 194 . 1 1 58 58 MET H H 1 8.027 . . 1 . . . . 2116 MET HN . 15398 1 195 . 1 1 58 58 MET C C 13 175.315 . . 1 . . . . 2116 MET C . 15398 1 196 . 1 1 58 58 MET CA C 13 55.482 . . 1 . . . . 2116 MET CA . 15398 1 197 . 1 1 58 58 MET N N 15 119.731 . . 1 . . . . 2116 MET NN . 15398 1 198 . 1 1 59 59 GLN H H 1 7.936 . . 1 . . . . 2117 GLN HN . 15398 1 199 . 1 1 59 59 GLN C C 13 180.392 . . 1 . . . . 2117 GLN C . 15398 1 200 . 1 1 59 59 GLN CA C 13 57.499 . . 1 . . . . 2117 GLN CA . 15398 1 201 . 1 1 59 59 GLN N N 15 126.068 . . 1 . . . . 2117 GLN NN . 15398 1 stop_ save_